ethyl 6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate Openeye Name: ethyl 6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate CAS Name: 6-[[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate Traditional Name: 6-(9H-fluoren-9-ylmethoxycarbonylthiocarbamoylamino)nicotinic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NC(=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NC(=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C24H21N3O4S/c1-2-30-22(28)15-11-12-21(25-13-15)26-23(32)27-24(29)31-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-13,20H,2,14H2,1H3,(H2,25,26,27,29,32)